N-benzyl-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]propanediamide
Formula:C17H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C17H15N3O2Cl2 |
| Smiles | O=C(CC(N/N=C/c(cc1)cc(Cl)c1Cl)=O)NCc1ccccc1 |
| InChI | InChI=1S/C17H15Cl2N3O2/c18-14-7-6-13(8-15(14)19)11-21-22-17(24)9-16(23)20-10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,20,23)(H,22,24) |
| InChIK | YXJHGWVUFPJLDH-UHFFFAOYSA-N |
| TotalMolweight | 364.231 |
| Molweight | 364.231 |
| MonoisotopicMass | 363.054131 |
| CLogP | 3.5197 |
| CLogS | -5.083 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.22039 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.4135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]propanediamide | 2 - N-benzyl-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]propanediamide
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